4-[18-(4-Hydroxy-2,2,6-trimethylcyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
| Internal ID | 2f998487-709c-4ac1-9dd9-a91fde3dd5e3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Tetraterpenoids > Carotenoids > Xanthophylls |
| IUPAC Name | 4-[18-(4-hydroxy-2,2,6-trimethylcyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,33,35-37,41-42H,25-28H2,1-10H3 |
| InChI Key | ISCBDXCFSQTDNI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H58O2 |
| Molecular Weight | 570.90 g/mol |
| Exact Mass | 570.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 11.70 |
| There are no found synonyms. |
![2D Structure of 4-[18-(4-Hydroxy-2,2,6-trimethylcyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/0cc4b650-856f-11ee-86e3-c9ec44305999.jpg "2D Structure of 4-[18-(4-Hydroxy-2,2,6-trimethylcyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.89% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.41% | 96.95% |
| CHEMBL1870 | P28702 | Retinoid X receptor beta | 87.95% | 95.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.86% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.74% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.78% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.61% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.61% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.93% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.90% | 97.21% |
| CHEMBL2004 | P48443 | Retinoid X receptor gamma | 83.81% | 100.00% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 83.78% | 91.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 74340445 |
| LOTUS | LTS0182319 |
| wikiData | Q105119388 |